3338-5701 Screening compound: 2-[4-(2,3-dihydro-1H-indole-1-sulfonyl)benzamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

3338-5701 Screening compound: 2-[4-(2,3-dihydro-1H-indole-1-sulfonyl)benzamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
3338-5701 Screening compound: 2-[4-(2,3-dihydro-1H-indole-1-sulfonyl)benzamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-5701
2-[4-(2,3-dihydro-1H-indole-1-sulfonyl)benzamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3338-5701

Molecular Formula

C25H25N3O4S2 (C25 H25 N3 O4 S2)

Compound Name

2-[4-(2,3-dihydro-1H-indole-1-sulfonyl)benzamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-[4-(23-dihydro-1H-indole-1-sulfonyl)benzamido]-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(CC1)Cc2c1c(C(N)=O)c(NC(c(cc1)ccc1S(N(CC1)c3c1cccc3)(=O)=O)=O)s2

InChI

InChI=1S/C25H25N3O4S2/c1-15-6-11-19-21(14-15)33-25(22(19)23(26)29)27-24(30)17-7-9-18(10-8-17)34(31,32)28-13-12-16-4-2-3-5-20(16)28/h2-5,7-10,15H,6,11-14H2,1H3,(H2,26,29)(H,27,30)/t15-/m1/s1

InChI Key

IGRWQWVYZCWXPH-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD02927228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.211

Distribution Coefficient, logD

1.138

Water Solubility, LogSw

-3.87

Polar Surface Area

88.622

Acid Dissociation Constant (pKa)

5.33

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

3338-5701 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3338-5701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-5701?
Check Price and Availability of 3338-5701, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3338-5701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-5701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-5701
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3338-5701 available by request